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Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules

BACKGROUND: In silico predictive models have proved to be valuable for the optimisation of compound potency, selectivity and safety profiles in the drug discovery process. RESULTS: camb is an R package that provides an environment for the rapid generation of quantitative Structure-Property and Struc...

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Detalles Bibliográficos
Autores principales:	Murrell, Daniel S, Cortes-Ciriano, Isidro, van Westen, Gerard J P, Stott, Ian P, Bender, Andreas, Malliavin, Thérèse E, Glen, Robert C
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2015
Materias:	Software
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4551546/ https://www.ncbi.nlm.nih.gov/pubmed/26322135 http://dx.doi.org/10.1186/s13321-015-0086-2

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